thian-4-yl 3,5-ditert-butyl-4-oxidanyl-benzoate

Systemtic Name: thian-4-yl 3,5-ditert-butyl-4-oxidanyl-benzoate Openeye Name: tetrahydrothiopyran-4-yl 3,5-ditert-butyl-4-hydroxy-benzoate CAS Name: 3,5-ditert-butyl-4-hydroxybenzoic acid 4-thianyl ester IUPAC Name: thian-4-yl 3,5-ditert-butyl-4-hydroxybenzoate Traditional Name: 3,5-ditert-butyl-4-hydroxy-benzoic acid tetrahydrothiopyran-4-yl ester Formula: C20H30O3S MolecularWeight: 350.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2CCSCC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)OC2CCSCC2

InChI

InChI=1S/C20H30O3S/c1-19(2,3)15-11-13(12-16(17(15)21)20(4,5)6)18(22)23-14-7-9-24-10-8-14/h11-12,14,21H,7-10H2,1-6H3